methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate

C10H11N3O3 — CID 15138856

IUPACmethyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate
SMILESCOC(=O)[C@@H](N=[N+]=[N-])[C@H](O)c1ccccc1
InChIInChI=1S/C10H11N3O3/c1-16-10(15)8(12-13-11)9(14)7-5-3-2-4-6-7/h2-6,8-9,14H,1H3/t8-,9+/m0/s1
InChIKeyOWOFSTZBLZMVEP-DTWKUNHWSA-N
MW221.22 g/mol
LogP1.57
Rot. Bonds4

About methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate

methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate (PubChem CID 15138856) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate
PubChem CID15138856
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Namemethyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate
SMILESCOC(=O)[C@@H](N=[N+]=[N-])[C@H](O)c1ccccc1
InChIInChI=1S/C10H11N3O3/c1-16-10(15)8(12-13-11)9(14)7-5-3-2-4-6-7/h2-6,8-9,14H,1H3/t8-,9+/m0/s1
InChIKeyOWOFSTZBLZMVEP-DTWKUNHWSA-N
XLogP1.57
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one
CID 10445684
dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate
CID 14249484
(1R)-2-azido-1-phenylpropan-1-ol
CID 89372094
methyl (2R,3R)-3-hydroxy-3-phenyl-2-phenylsulfanylpropanoate
CID 10108177
tert-butyl (2S,3S)-2-azido-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 100995145
methyl 2-[hydroxy(phenyl)methyl]-3-oxobutanoate
CID 102026591
propan-2-yl (2S)-2-azido-3-[[(1R)-1-phenylethyl]amino]propanoate
CID 102398757
ethyl (E)-4-azido-5-hydroxy-5-phenylpent-2-enoate
CID 15205683
N-[4-[(1R,2S)-2-azido-1-hydroxy-2-phenylethyl]phenyl]acetamide
CID 100913762
methyl (2S,3S)-2-azido-3-methylpentanoate
CID 57194503
methyl (2S)-2-azido-3-methylpentanoate
CID 102453240
methyl (2S,3S)-2-[(R)-hydroxy(phenyl)methyl]-3-phenylbutanoate
CID 101428067

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate?
The IUPAC name of methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate (CID 15138856) is methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate.
What is the SMILES notation for methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate?
The canonical SMILES for methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate is COC(=O)[C@@H](N=[N+]=[N-])[C@H](O)c1ccccc1.
What is the InChIKey of methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate?
The InChIKey is OWOFSTZBLZMVEP-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-16-10(15)8(12-13-11)9(14)7-5-3-2-4-6-7/h2-6,8-9,14H,1H3/t8-,9+/m0/s1.
What are the key properties of methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate?
methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate has a molecular weight of 221.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 15138856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).